4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide

C15H22ClN3O — CID 65074007

IUPAC4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
SMILESCCN1CCCC(Nc2cc(C(N)=O)ccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-19-8-3-4-12(7-9-19)18-14-10-11(15(17)20)5-6-13(14)16/h5-6,10,12,18H,2-4,7-9H2,1H3,(H2,17,20)
InChIKeyITHKPAHUXQCMMM-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.73
Rot. Bonds4

About 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide

4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide (PubChem CID 65074007) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide.

Molecular Properties

Compound Name4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
PubChem CID65074007
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide
SMILESCCN1CCCC(Nc2cc(C(N)=O)ccc2Cl)CC1
InChIInChI=1S/C15H22ClN3O/c1-2-19-8-3-4-12(7-9-19)18-14-10-11(15(17)20)5-6-13(14)16/h5-6,10,12,18H,2-4,7-9H2,1H3,(H2,17,20)
InChIKeyITHKPAHUXQCMMM-UHFFFAOYSA-N
XLogP2.73
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide?
The IUPAC name of 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide (CID 65074007) is 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide.
What is the SMILES notation for 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide?
The canonical SMILES for 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide is CCN1CCCC(Nc2cc(C(N)=O)ccc2Cl)CC1.
What is the InChIKey of 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide?
The InChIKey is ITHKPAHUXQCMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-2-19-8-3-4-12(7-9-19)18-14-10-11(15(17)20)5-6-13(14)16/h5-6,10,12,18H,2-4,7-9H2,1H3,(H2,17,20).
What are the key properties of 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide?
4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide has a molecular weight of 295.81 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(1-ethylazepan-4-yl)amino]benzamide is sourced from PubChem (CID 65074007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).